ethyl 2-[6-(3-bromanyl-5-cyano-phenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]oxyethanoate

Systemtic Name: ethyl 2-[6-(3-bromanyl-5-cyano-phenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]oxyethanoate Openeye Name: ethyl 2-[6-(3-bromo-5-cyano-phenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]oxyacetate CAS Name: 2-[[6-(3-bromo-5-cyanophenoxy)-2-[3-[dimethylamino(oxo)methyl]phenoxy]-5-nitro-4-pyrimidinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(3-bromo-5-cyanophenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-5-nitropyrimidin-4-yl]oxyacetate Traditional Name: 2-[6-(3-bromo-5-cyano-phenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]oxyacetic acid ethyl ester Formula: C24H20BrN5O8 MolecularWeight: 586.3483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=NC(=NC(=C1[N+](=O)[O-])OC2=CC(=CC(=C2)C#N)Br)OC3=CC=CC(=C3)C(=O)N(C)C

Isomeric SMILES

CCOC(=O)COC1=NC(=NC(=C1[N+](=O)[O-])OC2=CC(=CC(=C2)C#N)Br)OC3=CC=CC(=C3)C(=O)N(C)C

InChI

InChI=1S/C24H20BrN5O8/c1-4-35-19(31)13-36-21-20(30(33)34)22(37-18-9-14(12-26)8-16(25)11-18)28-24(27-21)38-17-7-5-6-15(10-17)23(32)29(2)3/h5-11H,4,13H2,1-3H3